N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine

C56H47NSi — CID 165158340

IUPACN-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2-c1ccc(-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H47NSi/c1-56(2)51-22-14-13-21-50(51)55-52(56)36-35-47(40-15-7-6-8-16-40)54(55)41-25-23-38(24-26-41)39-27-29-43(30-28-39)57(44-31-33-45(34-32-44)58(3,4)5)53-37-42-17-9-10-18-46(42)48-19-11-12-20-49(48)53/h6-37H,1-5H3
InChIKeyCMYMPCYHRNUUTH-UHFFFAOYSA-N
MW762.09 g/mol
LogP15.32
Rot. Bonds7

About N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine

N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine (PubChem CID 165158340) has the molecular formula C56H47NSi and a molecular weight of 762.09 g/mol. Its IUPAC name is N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine
PubChem CID165158340
Molecular FormulaC56H47NSi
Molecular Weight762.09 g/mol
Exact Mass761.35
IUPAC NameN-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2-c1ccc(-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H47NSi/c1-56(2)51-22-14-13-21-50(51)55-52(56)36-35-47(40-15-7-6-8-16-40)54(55)41-25-23-38(24-26-41)39-27-29-43(30-28-39)57(44-31-33-45(34-32-44)58(3,4)5)53-37-42-17-9-10-18-46(42)48-19-11-12-20-49(48)53/h6-37H,1-5H3
InChIKeyCMYMPCYHRNUUTH-UHFFFAOYSA-N
XLogP15.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.09
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine
CID 167232369
2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 170135025
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 162086645
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232505
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine (CID 165158340) is N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine is CC1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2-c1ccc(-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine?
The InChIKey is CMYMPCYHRNUUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47NSi/c1-56(2)51-22-14-13-21-50(51)55-52(56)36-35-47(40-15-7-6-8-16-40)54(55)41-25-23-38(24-26-41)39-27-29-43(30-28-39)57(44-31-33-45(34-32-44)58(3,4)5)53-37-42-17-9-10-18-46(42)48-19-11-12-20-49(48)53/h6-37H,1-5H3.
What are the key properties of N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine?
N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine has a molecular weight of 762.09 g/mol, XLogP of 15.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine is sourced from PubChem (CID 165158340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).